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CS-W001157 4
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1-Bromo-4-iodo-2-methylbenzene

  • CAS No. 202865-85-8

  • Cat. No. CS-W013978
  • Purity≥98%
  • MDL No.MFCD00070749

*For research and further manufacturing use only, not for direct human use.

1-Bromo-4-iodo-2-methylbenzene|CS-W013978

Structure of 202865-85-8

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General Information

  • CAS No. 202865-85-8
  • Cat. No. CS-W013978
  • Purity ≥98%
  • MDL No. MFCD00070749
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrI
  • Molecular Weight None
  • Synonym(s) 2-Bromo-5-iodotoluene; 1-Bromo-4-iodo-2-methylbenzene
  • SMILES CC1=CC(I)=CC=C1Br

Description

1-Bromo-4-iodo-2-methylbenzene features a methyl-substituted benzene core bearing bromo and iodo groups at para positions, enabling selective cross-coupling reactions. The electron-deficient aryl halide integrates readily into palladium-catalyzed transformations, offering precise control in complex molecule assembly.

Application

1-Bromo-4-iodo-2-methylbenzene serves as a versatile diaryl building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization via Suzuki, Stille, or Negishi couplings, while the methyl group provides steric and electronic modulation. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthesis of complex biaryl architectures in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Hussain, Munawar; Ahmed, Vanessa; Hill, Bryan; Ahmed, Zaheer; Taylor, Scott D. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 14 p. 6764 - 6777
  • Route2

    References

    • Chemical Communications, , vol. 50, # 17 p. 2136 - 2138
  • Route3
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      95-53-4
    • ~%
    • In-stock
      1-Bromo-4-iodo-2-methylbenzene|CS-W013978
      202865-85-8

    References

    • Chemical Communications, , vol. 50, # 17 p. 2136 - 2138

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.36212
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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